SCHEMBL20726741

SCHEMBL20726741

N#Cc1ccc(-c2nc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)cc3)nc(-c3ccc(-c4cnc5c(ccc6cccnc65)c4)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
RIPK1 Q13546 1/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP11B2 P19099 4/20 0.44
CYP11B1 P15538 3/20 0.44
CYP17A1 P05093 1/20 0.44
FABP1 P07148 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP2 P08253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20726707 1.00 PARP1 (0.55) PARP1RIPK1CCR1CCR5CCR8
SCHEMBL20726898 0.94 PARP1 (0.53) PARP1RIPK1CCR1CCR5CCR8
SCHEMBL20726737 0.93 PARP1 (0.51) PARP1RIPK1CCR1CCR5CCR8
SCHEMBL27115738 0.88 PARP1 (0.55) PARP1RIPK1CYP11B2CYP11B1CYP17A1
SCHEMBL23434687 0.85 KDM4E (0.53) PARP1CCR1CCR5CCR8CYP11B2
SCHEMBL20726706 0.85 KDM4E (0.53) PARP1CCR1CCR5CCR8CYP11B2
SCHEMBL20726702 0.85 KDM4E (0.53) PARP1CCR1CCR5CCR8CYP11B2
SCHEMBL20726783 0.83 CCR1 (0.50) PARP1CCR1CCR5CCR8CYP11B2
SCHEMBL25850745 0.83 PARP1 (0.54) PARP1RIPK1CYP11B2CYP11B1CYP17A1
SCHEMBL17125609 0.83 CCR1 (0.62) PARP1CCR1CCR5CCR8KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3441391-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2020-09-02 EP disclosed
US-20190051841-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-14 US disclosed
EP-3441391-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-02-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190051841-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, CYP1A1, CRY1 PARP1 326/4885RIPK1 2057/4885CCR1 2508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.